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This commit is contained in:
Andropov Arsenii
2023-05-23 16:25:00 +02:00
parent 182c065fe2
commit 055a009dbd
5 changed files with 228 additions and 93 deletions
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gromacs/includes/atom.h
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@@ -74,6 +74,7 @@
# define CI_BASE_INDEX(a,b) ((a) * CLUSTER_N * (b))
# define CJ_BASE_INDEX(a,b) ((a) * CLUSTER_N * (b))
#ifdef USE_SUPER_CLUSTERS
# define CJ1_FROM_SCI(a) (a)
# define SCI_BASE_INDEX(a,b) ((a) * CLUSTER_N * SCLUSTER_SIZE * (b))
# define SCJ_BASE_INDEX(a,b) ((a) * CLUSTER_N * SCLUSTER_SIZE * (b))
#endif //USE_SUPER_CLUSTERS